CID 45054800

1-(2-(2,4-dichlorobenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H20Cl2N2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=C(C=C(C=C4)Cl)Cl)OC
InChI
InChI=1S/C27H20Cl2N2O5/c1-34-24-12-8-17(13-25(24)35-2)27(33)36-23-11-7-16-5-3-4-6-19(16)21(23)15-30-31-26(32)20-10-9-18(28)14-22(20)29/h3-15H,1-2H3,(H,31,32)/b30-15+
InChIKey
YVJMBGKALPLUAU-FJEPWZHXSA-N
Compound name
[1-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.07495 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.08223 221.6
[M+Na]+ 545.06417 229.7
[M-H]- 521.06767 232.7
[M+NH4]+ 540.10877 229.7
[M+K]+ 561.03811 224.2
[M+H-H2O]+ 505.07221 211.5
[M+HCOO]- 567.07315 235.7
[M+CH3COO]- 581.08880 248.9
[M+Na-2H]- 543.04962 222.3
[M]+ 522.07440 231.7
[M]- 522.07550 231.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.